Basic information
- CAS
13485-59-1- Standard SMILES
CC(N)C(=O)N1CCCC1C(=O)O- InChIKey
WPWUFUBLGADILS-UHFFFAOYSA-N- Molecular formula
- C8H14N2O3
- Average molar mass
- 186.21 g/mol
Overview
Alanyl-Proline is a dipeptide.
Names & identifiers
- Preferred name
- 1-(2-Aminopropanoyl)pyrrolidine-2-carboxylic acid
- IUPAC
- 1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
- English name
- L-Alanyl-L-proline
- Molecular formula
- C8H14N2O3
- Molecular weight
- 186.21
Names & synonyms
1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acidalanyl-proline1-(2-Amino-propionyl)-pyrrolidine-2-carboxylic acidAlanylprolinD-Ala-Pro-OH.HClSCHEMBL593691CHEBI:173889NSC97932AKOS009156438ST45000846ALA-PROH-ALA-PRO-OH
Show more names
alanylprolineAla-Pro-OHL-Ala-L-proAla-L-Pro-OHL-Ala-Pro-OHL-ALA-PRO H2OL-Ala-L-Pro-OHALANINE-PROLINE
Database identifiers
- CAS
13485-59-1- PubChem CID
- 418040
- ChEBI
CHEBI:173889- Nikkaji
- J3.623.473C
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 170 · 170-178 °C
- Boiling point
- 403.8 · 403.8±40.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- refractive index
- -112 ° · -112 ° (C=2, H2O)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- pka
- 3.19 · 3.19±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- optical activity
- -104.6 ° · -104.6°(C=1.16g/100mL , H2O, 20°C, 589nm)
- Water Solubility
- within almost transparency
- BRN
- 3546017 · 3546017
- InChI
- 1S/C8H14N2O3.H2O/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4,9H2,1H3,(H,12,13);1H2/t5-,6-;/m0./s1
- InChIKey
- SSUWZOPYGFOQJA-GEMLJDPKSA-N
- SMILES
- O.C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O
Safety & regulation
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesL-Alanyl-L-proline is a dipeptide that contains a sterically constrained proline, a well-known turn inducer in proteins.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Related reactions
26 records
Compound notes
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